N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide

C15H21FN2O5S — CID 135091837

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C
InChIInChI=1S/C15H21FN2O5S/c1-18(2)24(20,21)9-10-7-23-8-12(10)17-15(19)14-11(16)5-4-6-13(14)22-3/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t10-,12-/m0/s1
InChIKeyPUZQWLKUWVHYJK-JQWIXIFHSA-N
MW360.41 g/mol
LogP0.47
Rot. Bonds6

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide (PubChem CID 135091837) has the molecular formula C15H21FN2O5S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
PubChem CID135091837
Molecular FormulaC15H21FN2O5S
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C
InChIInChI=1S/C15H21FN2O5S/c1-18(2)24(20,21)9-10-7-23-8-12(10)17-15(19)14-11(16)5-4-6-13(14)22-3/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t10-,12-/m0/s1
InChIKeyPUZQWLKUWVHYJK-JQWIXIFHSA-N
XLogP0.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 155917124
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 135118851
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 135114707
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-methoxyphenyl)acetamide
CID 135117688

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide (CID 135091837) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)N[C@H]1COC[C@H]1CS(=O)(=O)N(C)C.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide?
The InChIKey is PUZQWLKUWVHYJK-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H21FN2O5S/c1-18(2)24(20,21)9-10-7-23-8-12(10)17-15(19)14-11(16)5-4-6-13(14)22-3/h4-6,10,12H,7-9H2,1-3H3,(H,17,19)/t10-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 135091837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).